CeIn(GaAu2)2
Alexandria ALEXAlex-ID: agm004801271 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_337_spg166
Ce(GaAu)3 Ce(GaAu)2 Ce2(GaAu3)3 In2Au
2022-07-14 08:52:23.892223
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004801271).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm004801271
data_agm004801271
_cell_length_a 4.49367
_cell_length_b 4.49367
_cell_length_c 9.87412
_cell_angle_alpha 76.84725
_cell_angle_beta 76.84725
_cell_angle_gamma 60.00000
_cell_volume 166.60867
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
Ga1 Ga 0.74377 0.74377 0.76870 1.00000
Ga2 Ga 0.25623 0.25623 0.23130 1.00000
Au1 Au 0.39276 0.39276 0.82172 1.00000
Au2 Au 0.88005 0.88005 0.35986 1.00000
Au3 Au 0.11995 0.11995 0.64014 1.00000
Au4 Au 0.60724 0.60724 0.17828 1.00000
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